methyl 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C21H19N3O4S/c1-27-14-4-6-17-16(10-14)13(11-22-17)7-8-24-19(25)15-5-3-12(20(26)28-2)9-18(15)23-21(24)29/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,29)