[2-[(2,4-dimethylthiophen-3-yl)-(1,3-dioxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2,4-dimethylthiophen-3-yl)-(1,3-dioxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[(2,4-dimethyl-3-thienyl)-(1,3-dioxolan-2-ylmethyl)amino]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2,4-dimethyl-3-thiophenyl)-(1,3-dioxolan-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylthiophen-3-yl)-(1,3-dioxolan-2-ylmethyl)amino]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(2,4-dimethyl-3-thienyl)-(1,3-dioxolan-2-ylmethyl)amino]-2-keto-ethyl] ester Formula: C19H23NO6S2 MolecularWeight: 425.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)N(CC2OCCO2)C3=C(SC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)N(CC2OCCO2)C3=C(SC=C3C)C

InChI

InChI=1S/C19H23NO6S2/c1-13-4-6-16(7-5-13)28(22,23)26-11-17(21)20(10-18-24-8-9-25-18)19-14(2)12-27-15(19)3/h4-7,12,18H,8-11H2,1-3H3