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

Systemtic Name: 2-[[[3-chloranyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[3-chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[3-chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl)O

InChI

InChI=1S/C20H18ClN3O4S/c1-28-15-8-11(6-7-14(15)25)19-18(21)20(27)24(19)22-10-12-9-17(26)23-13-4-2-3-5-16(13)29-12/h2-9,18-19,22,25H,10H2,1H3,(H,23,26)