methyl 2-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(2-ethylsulfanylpyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(ethylthio)-3-pyridinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-ethylsulfanylpyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(ethylthio)nicotinoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-3-27-19-15(8-6-10-21-19)18(24)23-17(20(25)26-2)11-13-12-22-16-9-5-4-7-14(13)16/h4-10,12,17,22H,3,11H2,1-2H3,(H,23,24)