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

Systemtic Name: ethyl 5-[(3-ethylsulfanylphenyl)carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-ethylsulfanylbenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[3-(ethylthio)phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-ethylsulfanylbenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[3-(ethylthio)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S3/c1-4-23-18(22)15-11(3)14(25-10-19)17(26-15)20-16(21)12-7-6-8-13(9-12)24-5-2/h6-9H,4-5H2,1-3H3,(H,20,21)