8-chloranyl-2-[(2-methylphenyl)methyl]-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one

Systemtic Name: 8-chloranyl-2-[(2-methylphenyl)methyl]-10,10-bis(oxidanylidene)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Openeye Name: 8-chloro-2-(o-tolylmethyl)-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one CAS Name: 8-chloro-2-[(2-methylphenyl)methyl]-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one IUPAC Name: 8-chloro-2-[(2-methylphenyl)methyl]-10,10-dioxo-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Traditional Name: 8-chloro-10,10-diketo-2-(2-methylbenzyl)-5H-pyrrolo[3,4-b][1,5]benzothiazepin-4-one Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C3C(=C2)S(=O)(=O)C4=C(C=CC(=C4)Cl)NC3=O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C3C(=C2)S(=O)(=O)C4=C(C=CC(=C4)Cl)NC3=O

InChI

InChI=1S/C19H15ClN2O3S/c1-12-4-2-3-5-13(12)9-22-10-15-18(11-22)26(24,25)17-8-14(20)6-7-16(17)21-19(15)23/h2-8,10-11H,9H2,1H3,(H,21,23)