1,3-benzothiazol-2-ylmethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4)C(=O)N2C1

InChI

InChI=1S/C20H15N3O3S/c24-19-13-8-7-12(10-15(13)21-17-6-3-9-23(17)19)20(25)26-11-18-22-14-4-1-2-5-16(14)27-18/h1-2,4-5,7-8,10H,3,6,9,11H2