[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CC3)OC

InChI

InChI=1S/C19H25NO7S/c1-3-26-16-7-4-13(10-17(16)25-2)19(22)27-11-18(21)20(14-5-6-14)15-8-9-28(23,24)12-15/h4,7,10,14-15H,3,5-6,8-9,11-12H2,1-2H3/t15-/m0/s1