[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-isobutyl-amino]-2-oxo-ethyl] 3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: 3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid [2-[(1,1-diketothiolan-3-yl)-isobutyl-amino]-2-keto-ethyl] ester Formula: C21H28ClNO7S MolecularWeight: 473.96752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C21H28ClNO7S/c1-14(2)11-23(16-7-8-31(26,27)13-16)19(24)12-30-20(25)6-5-15-9-17(22)21(29-4)18(10-15)28-3/h5-6,9-10,14,16H,7-8,11-13H2,1-4H3