ethyl 4-[[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-cyclopropyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-cyclopropylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-cyclopropylcarbamoyl]amino]benzoate Traditional Name: 4-[[cyclopropyl-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C28H29N3O6S/c1-2-35-27(33)20-6-8-21(9-7-20)29-28(34)31(22-10-11-22)17-26(32)30(16-23-4-3-13-38-23)15-19-5-12-24-25(14-19)37-18-36-24/h3-9,12-14,22H,2,10-11,15-18H2,1H3,(H,29,34)