ethyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-(tert-butoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC[C@H](C1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N2O5S/c1-5-24-15(21)10-20-13-8-6-7-9-14(13)26-11-12(16(20)22)19-17(23)25-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,19,23)/t12-/m1/s1