[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-18(2,3)25-17(23)20-12-6-4-11(5-7-12)16(22)24-10-13(21)14-8-9-15(19)26-14/h4-9H,10H2,1-3H3,(H,20,23)