ethyl 2-[3-[3-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[3-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[3-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-3-oxo-propyl]sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[[3-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[[3-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-3-keto-propyl]thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H32N2O6S3 MolecularWeight: 636.80128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSCCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSCCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C32H32N2O6S3/c1-3-39-31(37)27-23(21-11-7-5-8-12-21)19-42-29(27)33-25(35)15-17-41-18-16-26(36)34-30-28(32(38)40-4-2)24(20-43-30)22-13-9-6-10-14-22/h5-14,19-20H,3-4,15-18H2,1-2H3,(H,33,35)(H,34,36)