[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)N4C=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-13-7-8-14(11-16(13)25-9-2-3-10-25)22(28)29-12-18(26)24-21-19(20(23)27)15-5-4-6-17(15)30-21/h2-3,7-11H,4-6,12H2,1H3,(H2,23,27)(H,24,26)