(Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)pent-2-en-1-one

Systemtic Name: (Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)pent-2-en-1-one Openeye Name: (Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)pent-2-en-1-one CAS Name: (Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-penten-1-one IUPAC Name: (Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)pent-2-en-1-one Traditional Name: (Z)-2-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)pent-2-en-1-one Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)N1CCC(SC2=CC=CC=C21)C

Isomeric SMILES

CC/C=C(/C)\C(=O)N1CCC(SC2=CC=CC=C21)C

InChI

InChI=1S/C16H21NOS/c1-4-7-12(2)16(18)17-11-10-13(3)19-15-9-6-5-8-14(15)17/h5-9,13H,4,10-11H2,1-3H3/b12-7-