methyl 3-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzothiazol-2-ylamino)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzothiazol-2-ylamino)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-ylamino)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-ylamino)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N4O3S2/c1-24-15(23)9-6-7-10-12(8-9)19-17(25)21(14(10)22)20-16-18-11-4-2-3-5-13(11)26-16/h2-8H,1H3,(H,18,20)(H,19,25)