methyl 4-[(4-chloranyl-3-ethoxycarbonyl-phenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[(4-chloranyl-3-ethoxycarbonyl-phenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[(4-chloro-3-ethoxycarbonyl-phenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[[(4-chloro-3-ethoxycarbonylanilino)-oxomethyl]amino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-ethoxycarbonylphenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[(3-carbethoxy-4-chloro-phenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC2=C(CSC2)C(=O)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC2=C(CSC2)C(=O)OC)Cl

InChI

InChI=1S/C16H17ClN2O5S/c1-3-24-15(21)10-6-9(4-5-12(10)17)18-16(22)19-13-8-25-7-11(13)14(20)23-2/h4-6H,3,7-8H2,1-2H3,(H2,18,19,22)