[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(N-[(3S)-1,1-dioxo-3-thiolanyl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(N-[(3S)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29NO6S/c1-2-3-7-15-30-22-12-10-19(11-13-22)24(27)31-17-23(26)25(20-8-5-4-6-9-20)21-14-16-32(28,29)18-21/h4-6,8-13,21H,2-3,7,14-18H2,1H3/t21-/m0/s1