3-[(3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanoic acid

Systemtic Name: 3-[(3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanoic acid Openeye Name: 3-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanoic acid CAS Name: 3-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanoic acid Traditional Name: 3-[(4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propionic acid Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)CCC(=O)O)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)CCC(=O)O)NC1=O

InChI

InChI=1S/C13H15NO5S2/c1-8-7-20-11-3-2-9(6-10(11)14-13(8)17)21(18,19)5-4-12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,14,17)(H,15,16)