(3-chloranyl-5-methoxy-4-propoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (3-chloranyl-5-methoxy-4-propoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (3-chloro-5-methoxy-4-propoxyphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (3-chloro-5-methoxy-4-propoxyphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C20H22ClNO3S/c1-3-10-25-19-15(21)12-14(13-17(19)24-2)20(23)22-9-6-11-26-18-8-5-4-7-16(18)22/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3