[1-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [1-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)OC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)OC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C18H18ClN3O4S/c1-8(26-18(25)10-5-2-6-11(19)14(10)20)16(24)22-17-13(15(21)23)9-4-3-7-12(9)27-17/h2,5-6,8H,3-4,7,20H2,1H3,(H2,21,23)(H,22,24)