2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]thio]benzoate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H18N2O3S/c22-18(12-25-17-8-4-2-6-15(17)19(23)24)20-10-9-13-11-21-16-7-3-1-5-14(13)16/h1-8,11,21H,9-10,12H2,(H,20,22)(H,23,24)/p-1