[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O6S2 MolecularWeight: 471.93502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3

InChI

InChI=1S/C18H18ClN3O6S2/c1-9(16(24)21-17-12(15(20)23)6-7-29-17)28-18(25)10-2-5-13(19)14(8-10)30(26,27)22-11-3-4-11/h2,5-9,11,22H,3-4H2,1H3,(H2,20,23)(H,21,24)/t9-/m0/s1