[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate

Systemtic Name: [2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H18FNO4S/c1-26-17-10-6-15(7-11-17)21(25)27-13-19(24)23-20(18-3-2-12-28-18)14-4-8-16(22)9-5-14/h2-12,20H,13H2,1H3,(H,23,24)/t20-/m0/s1