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

Systemtic Name: methyl 4-[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 3-bromo-4-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)Br

InChI

InChI=1S/C18H17BrN2O5S/c1-25-18(24)9-5-6-12(11(19)7-9)26-8-14(22)21-17-15(16(20)23)10-3-2-4-13(10)27-17/h5-7H,2-4,8H2,1H3,(H2,20,23)(H,21,22)