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

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC

InChI

InChI=1S/C21H24N2O6S/c1-11-14(27-2)8-12(9-15(11)28-3)21(26)29-10-17(24)23-20-18(19(22)25)13-6-4-5-7-16(13)30-20/h8-9H,4-7,10H2,1-3H3,(H2,22,25)(H,23,24)