[(2S,3S)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate; ethanedioic acid

Systemtic Name: [(2S,3S)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate; ethanedioic acid Openeye Name: [(2S,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate; oxalic acid CAS Name: acetic acid [(2S,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester; oxalic acid IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate; oxalic acid Traditional Name: acetic acid [(2S,3S)-5-(2-dimethylaminoethyl)-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester; oxalic acid Formula: C21H24N2O7S2 MolecularWeight: 480.55446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CSC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O3S2.C2H2O4/c1-13(22)24-17-18(14-8-11-25-12-14)26-16-7-5-4-6-15(16)21(19(17)23)10-9-20(2)3;3-1(4)2(5)6/h4-8,11-12,17-18H,9-10H2,1-3H3;(H,3,4)(H,5,6)/t17-,18+;/m1./s1