2-(3-chloranyl-4-methoxy-phenyl)-3-oxidanyl-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-3-oxidanyl-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-(3-chloro-4-methoxyphenyl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-3-hydroxy-8-phenoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC4=CC=CC=C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC4=CC=CC=C4)O)Cl

InChI

InChI=1S/C22H18ClNO4S/c1-27-18-10-7-13(11-16(18)23)21-20(25)22(26)24-17-9-8-15(12-19(17)29-21)28-14-5-3-2-4-6-14/h2-12,20-21,25H,1H3,(H,24,26)