[2-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2O4S/c1-11-3-6-13(7-4-11)20(25)26-10-16(23)22-19-17(18(21)24)14-8-5-12(2)9-15(14)27-19/h3-4,6-7,12H,5,8-10H2,1-2H3,(H2,21,24)(H,22,23)/t12-/m1/s1