methyl 2-(2-bromanyl-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)ethanoate

Systemtic Name: methyl 2-(2-bromanyl-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)ethanoate Openeye Name: methyl 2-(2-bromo-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)acetate CAS Name: 2-(2-bromo-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-bromo-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)acetate Traditional Name: 2-(2-bromo-5,6-dihydrobenzo[b][1,4]benzothiazepin-6-yl)acetic acid methyl ester Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2SC3=C(N1)C=CC(=C3)Br

Isomeric SMILES

COC(=O)CC1C2=CC=CC=C2SC3=C(N1)C=CC(=C3)Br

InChI

InChI=1S/C16H14BrNO2S/c1-20-16(19)9-13-11-4-2-3-5-14(11)21-15-8-10(17)6-7-12(15)18-13/h2-8,13,18H,9H2,1H3