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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S2/c1-24-17(23)10-6-7-11-13(8-10)19-15(21-16(11)22)9-25-18-20-12-4-2-3-5-14(12)26-18/h2-8H,9H2,1H3,(H,19,21,22)