2-[[(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)amino]methyl]-5H-1,5-benzothiazepin-4-one

Systemtic Name: 2-[[(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[(3-chloro-2-oxo-4-phenyl-1-azetidinyl)amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[(3-chloro-2-oxo-4-phenylazetidin-1-yl)amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[(3-chloro-2-keto-4-phenyl-azetidin-1-yl)amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H16ClN3O2S/c20-17-18(12-6-2-1-3-7-12)23(19(17)25)21-11-13-10-16(24)22-14-8-4-5-9-15(14)26-13/h1-10,17-18,21H,11H2,(H,22,24)