ethyl 5-(1H-indol-3-yl)-4,7-bis(oxidanylidene)-2-sulfanylidene-1,4a,5,6-tetrahydroquinazoline-6-carboxylate

Systemtic Name: ethyl 5-(1H-indol-3-yl)-4,7-bis(oxidanylidene)-2-sulfanylidene-1,4a,5,6-tetrahydroquinazoline-6-carboxylate Openeye Name: ethyl 5-(1H-indol-3-yl)-4,7-dioxo-2-thioxo-1,4a,5,6-tetrahydroquinazoline-6-carboxylate CAS Name: 5-(1H-indol-3-yl)-4,7-dioxo-2-sulfanylidene-1,4a,5,6-tetrahydroquinazoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-indol-3-yl)-4,7-dioxo-2-sulfanylidene-1,4a,5,6-tetrahydroquinazoline-6-carboxylate Traditional Name: 5-(1H-indol-3-yl)-4,7-diketo-2-thioxo-1,4a,5,6-tetrahydroquinazoline-6-carboxylic acid ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=CC1=O)NC(=S)NC2=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1C(C2C(=CC1=O)NC(=S)NC2=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H17N3O4S/c1-2-26-18(25)16-13(23)7-12-15(17(24)22-19(27)21-12)14(16)10-8-20-11-6-4-3-5-9(10)11/h3-8,14-16,20H,2H2,1H3,(H2,21,22,24,27)