2-(3-azanyl-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid

Systemtic Name: 2-(3-azanyl-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid Openeye Name: 2-(3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid CAS Name: 2-(3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid IUPAC Name: 2-(3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Traditional Name: 2-(3-amino-4-keto-8-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(CS2)N)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(CS2)N)CC(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-7-2-3-9-10(4-7)18-6-8(13)12(17)14(9)5-11(15)16/h2-4,8H,5-6,13H2,1H3,(H,15,16)