[(6R,7R)-3-chloranyl-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate

Systemtic Name: [(6R,7R)-3-chloranyl-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate Openeye Name: [(6R,7R)-3-chloro-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate CAS Name: acetic acid [(6R,7R)-3-chloro-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester IUPAC Name: [(6R,7R)-3-chloro-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate Traditional Name: acetic acid [(6R,7R)-3-chloro-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@H](SC2=C(C=CC(=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18ClNO3S/c1-13(24)26-20-18-4-3-11-23(18)17-10-7-15(22)12-19(17)27-21(20)14-5-8-16(25-2)9-6-14/h3-12,20-21H,1-2H3/t20-,21-/m1/s1