ethyl 2-[(3S)-8-methyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-8-methyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-(benzyloxycarbonylamino)-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3S)-8-methyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-8-methyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3S)-3-(benzyloxycarbonylamino)-4-keto-8-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SCC(C1=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC[C@H](C1=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-3-28-20(25)12-24-18-10-9-15(2)11-19(18)30-14-17(21(24)26)23-22(27)29-13-16-7-5-4-6-8-16/h4-11,17H,3,12-14H2,1-2H3,(H,23,27)/t17-/m1/s1