(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(SC3=CC=CC=C32)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[C@@H](SC3=CC=CC=C32)C)OC

InChI

InChI=1S/C20H22BrNO3S/c1-4-25-19-15(21)11-14(12-17(19)24-3)20(23)22-10-9-13(2)26-18-8-6-5-7-16(18)22/h5-8,11-13H,4,9-10H2,1-3H3/t13-/m0/s1