2-[2-ethoxycarbonyl-5-oxidanylidene-3-(phenylmethyl)-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[2-ethoxycarbonyl-5-oxidanylidene-3-(phenylmethyl)-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[3-benzyl-2-ethoxycarbonyl-5-oxo-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-ethoxycarbonyl-5-oxo-3-(phenylmethyl)-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[3-benzyl-2-ethoxycarbonyl-5-oxo-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[3-benzyl-2-carbethoxy-5-keto-2-(3-phenylpropylamino)-1,4-thiazepan-4-yl]acetic acid Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N(C(=O)CCS1)CC(=O)O)CC2=CC=CC=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(C(N(C(=O)CCS1)CC(=O)O)CC2=CC=CC=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5S/c1-2-33-25(32)26(27-16-9-14-20-10-5-3-6-11-20)22(18-21-12-7-4-8-13-21)28(19-24(30)31)23(29)15-17-34-26/h3-8,10-13,22,27H,2,9,14-19H2,1H3,(H,30,31)