propan-2-yl 4-[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]acetyl]amino]benzoic acid isopropyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-24(13-19(25)22-12-18-6-5-11-29-18)14-20(26)23-17-9-7-16(8-10-17)21(27)28-15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,22,25)(H,23,26)