ethyl (5S)-5-(3,3-diphenylpropyliminomethyl)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl (5S)-5-(3,3-diphenylpropyliminomethyl)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl (5S)-2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-oxo-thiophene-3-carboxylate CAS Name: (5S)-2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5S)-2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-oxothiophene-3-carboxylate Traditional Name: (5S)-2-anilino-5-(3,3-diphenylpropyliminomethyl)-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(C1=O)C=NCCC(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(S[C@H](C1=O)C=NCCC(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O3S/c1-2-34-29(33)26-27(32)25(35-28(26)31-23-16-10-5-11-17-23)20-30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-25,31H,2,18-19H2,1H3/t25-/m0/s1