ethyl 5-[2-(4-methoxyphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-methoxyphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)OC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)OC)SC#N)C

InChI

InChI=1S/C18H18N2O4S2/c1-4-24-18(22)16-11(2)15(25-10-19)17(26-16)20-14(21)9-12-5-7-13(23-3)8-6-12/h5-8H,4,9H2,1-3H3,(H,20,21)