methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(1H-indol-3-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H17N3O3S/c1-26-19(25)12-6-7-15-17(10-12)22-20(27)23(18(15)24)9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,21H,8-9H2,1H3,(H,22,27)