1-(2-chloranyl-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one

Systemtic Name: 1-(2-chloranyl-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Openeye Name: 1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one CAS Name: 1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-propen-1-one IUPAC Name: 1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Traditional Name: 1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(CN(C2)C(=O)C=C)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)SC(CN(C2)C(=O)C=C)Cl

InChI

InChI=1S/C13H14ClNO2S/c1-3-13(16)15-7-9-6-10(17-2)4-5-11(9)18-12(14)8-15/h3-6,12H,1,7-8H2,2H3