ethyl 2-[[(2S)-2-(3-indol-1-ylpropanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(3-indol-1-ylpropanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(3-indol-1-ylpropanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[3-(1-indolyl)-1-oxopropoxy]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(3-indol-1-ylpropanoyloxy)propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(3-indol-1-ylpropanoyloxy)propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCN3C=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)CCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N2O5S/c1-3-33-27(32)21-17-23(20-10-5-4-6-11-20)35-26(21)28-25(31)18(2)34-24(30)14-16-29-15-13-19-9-7-8-12-22(19)29/h4-13,15,17-18H,3,14,16H2,1-2H3,(H,28,31)/t18-/m0/s1