methyl 4-methyl-3-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[tetrahydrofuran-2-ylmethyl(2-thienylmethyl)amino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[2-oxolanylmethyl(thiophen-2-ylmethyl)amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[tetrahydrofurfuryl(2-thenyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2CCCO2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2CCCO2)CC3=CC=CS3

InChI

InChI=1S/C21H26N2O4S/c1-15-7-8-16(21(25)26-2)11-19(15)22-20(24)14-23(12-17-5-3-9-27-17)13-18-6-4-10-28-18/h4,6-8,10-11,17H,3,5,9,12-14H2,1-2H3,(H,22,24)