methyl 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoate

Systemtic Name: methyl 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoate Openeye Name: methyl 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetate CAS Name: 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetate Traditional Name: 2-[6-[carbethoxy(3-phenylpropyl)amino]-5-keto-1,4-thiazepan-4-yl]acetic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCC1=CC=CC=C1)C2CSCCN(C2=O)CC(=O)OC

Isomeric SMILES

CCOC(=O)N(CCCC1=CC=CC=C1)C2CSCCN(C2=O)CC(=O)OC

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(25)22(11-7-10-16-8-5-4-6-9-16)17-15-28-13-12-21(19(17)24)14-18(23)26-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3