4-oxidanylidene-N-prop-2-ynyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-prop-2-ynyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-prop-2-ynyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-prop-2-ynyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-prop-2-ynyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-propargyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

C#CCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C13H12N2O2S/c1-2-6-14-13(17)9-3-4-11-10(8-9)15-12(16)5-7-18-11/h1,3-4,8H,5-7H2,(H,14,17)(H,15,16)