(4-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-3-yl) ethanoate

Systemtic Name: (4-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-3-yl) ethanoate Openeye Name: (4-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-3-yl) acetate CAS Name: acetic acid [4-(methylthio)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: (4-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-3-yl) acetate Traditional Name: acetic acid [4-(methylthio)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC2=CC=CC=C2N=C1SC

Isomeric SMILES

CC(=O)OC1CSC2=CC=CC=C2N=C1SC

InChI

InChI=1S/C12H13NO2S2/c1-8(14)15-10-7-17-11-6-4-3-5-9(11)13-12(10)16-2/h3-6,10H,7H2,1-2H3