methyl 5-[[6-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-thiophen-2-yl)carbamoyl]pyridin-2-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[6-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-thiophen-2-yl)carbamoyl]pyridin-2-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: methyl 5-[[6-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-2-thienyl)carbamoyl]pyridine-2-carbonyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[6-[[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-2-thiophenyl)amino]-oxomethyl]-2-pyridinyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-[(5-ethoxycarbonyl-4-methyl-3-thiocyanatothiophen-2-yl)carbamoyl]pyridine-2-carbonyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[6-[(5-carbethoxy-4-methyl-3-thiocyanato-2-thienyl)carbamoyl]picolinoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid methyl ester Formula: C24H19N5O6S4 MolecularWeight: 601.69756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC(=N2)C(=O)NC3=C(C(=C(S3)C(=O)OC)C)SC#N)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC(=N2)C(=O)NC3=C(C(=C(S3)C(=O)OC)C)SC#N)SC#N)C

InChI

InChI=1S/C24H19N5O6S4/c1-5-35-24(33)18-12(3)16(37-10-26)22(39-18)29-20(31)14-8-6-7-13(27-14)19(30)28-21-15(36-9-25)11(2)17(38-21)23(32)34-4/h6-8H,5H2,1-4H3,(H,28,30)(H,29,31)