N-[2-(5-bromanylthiophen-2-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H15BrN2O2S2 MolecularWeight: 411.3365

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(S3)Br)NC1=O

InChI

InChI=1S/C16H15BrN2O2S2/c17-14-4-2-11(23-14)5-7-18-16(21)10-1-3-13-12(9-10)19-15(20)6-8-22-13/h1-4,9H,5-8H2,(H,18,21)(H,19,20)