[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(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] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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