[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(C)C2CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)N[C@H](C)C2CC2

InChI

InChI=1S/C17H23NO4S/c1-3-21-14-6-8-15(9-7-14)23-11-17(20)22-10-16(19)18-12(2)13-4-5-13/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,19)/t12-/m1/s1