ethyl 5-[(2,3-dimethoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2,3-dimethoxyphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2,3-dimethoxybenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,3-dimethoxybenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-(o-veratroylamino)-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-5-25-18(22)15-10(2)14(26-9-19)17(27-15)20-16(21)11-7-6-8-12(23-3)13(11)24-4/h6-8H,5H2,1-4H3,(H,20,21)