(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C28H22N2O4S/c31-25(22-11-5-8-18-7-1-2-9-20(18)22)17-34-28(33)24(30-27(32)26-13-6-14-35-26)15-19-16-29-23-12-4-3-10-21(19)23/h1-14,16,24,29H,15,17H2,(H,30,32)