[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC

InChI

InChI=1S/C18H19BrN2O6S/c1-3-5-26-15-12(19)7-10(8-13(15)25-2)18(24)27-9-14(22)21-17-11(16(20)23)4-6-28-17/h4,6-8H,3,5,9H2,1-2H3,(H2,20,23)(H,21,22)