[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-12-4-6-15-14(9-12)13(20(23-15)16-3-2-8-28-16)5-7-19(26)27-11-18(25)22-10-17(21)24/h2-4,6,8-9,23H,5,7,10-11H2,1H3,(H2,21,24)(H,22,25)