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

Systemtic Name: ethyl 5-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O6S3 MolecularWeight: 468.5669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S3/c1-4-27-19(23)17-12(2)16(28-11-20)18(29-17)21-15(22)9-10-30(24,25)14-7-5-13(26-3)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,22)