ethyl 5-[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(3-amino-3-oxo-propyl)-benzyl-amino]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(3-amino-3-oxopropyl)-benzylamino]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(3-amino-3-keto-propyl)-benzyl-amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-20(26)19-14(2)11-18(28-19)22-17(25)13-23(10-9-16(21)24)12-15-7-5-4-6-8-15/h4-8,11H,3,9-10,12-13H2,1-2H3,(H2,21,24)(H,22,25)