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

Systemtic Name: 2-[[[3-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[3-chloro-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[3-chloro-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C20H18ClN3O3S MolecularWeight: 415.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-27-13-8-6-12(7-9-13)19-18(21)20(26)24(19)22-11-14-10-17(25)23-15-4-2-3-5-16(15)28-14/h2-10,18-19,22H,11H2,1H3,(H,23,25)