[2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(3-methyl-1,1-dioxo-thiolan-3-yl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[(1,1-diketo-3-methyl-thiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C14H17ClN2O5S/c1-14(4-5-23(20,21)8-14)17-12(18)7-22-13(19)9-2-3-10(15)11(16)6-9/h2-3,6H,4-5,7-8,16H2,1H3,(H,17,18)