2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-1-oxidanylidene-1,4-thiazocan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-1-oxidanylidene-1,4-thiazocan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-1-oxo-1,4-thiazocan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxo-1,4-thiazocan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxo-1,4-thiazocan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-1-keto-1,4-thiazocan-4-yl]acetic acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCS(=O)CCN(C2)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCS(=O)CCN(C2)CC(=O)O

InChI

InChI=1S/C20H30N2O5S/c1-2-27-20(25)18(9-8-16-6-4-3-5-7-16)21-17-10-12-28(26)13-11-22(14-17)15-19(23)24/h3-7,17-18,21H,2,8-15H2,1H3,(H,23,24)