2-[3-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1-ethoxycarbonylnonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxodecan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxodecan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-(1-carbethoxynonylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C23H34N2O5S/c1-3-5-6-7-8-9-12-17(23(29)30-4-2)24-18-16-31-20-14-11-10-13-19(20)25(22(18)28)15-21(26)27/h10-11,13-14,17-18,24H,3-9,12,15-16H2,1-2H3,(H,26,27)