methyl 2-[2-[2-[(4-dimethylaminophenyl)diazenyl]-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[2-[(4-dimethylaminophenyl)diazenyl]-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[2-(4-dimethylaminophenyl)azothiazol-4-yl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[2-(4-dimethylaminophenyl)azo-4-thiazolyl]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[(4-dimethylaminophenyl)diazenyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[2-(4-dimethylaminophenyl)azothiazol-4-yl]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CC1=CSC(=N1)N=NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CC1=CSC(=N1)N=NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H27N5O3S/c1-6-13(2)18(19(27)28-5)22-17(26)11-15-12-29-20(21-15)24-23-14-7-9-16(10-8-14)25(3)4/h7-10,12-13,18H,6,11H2,1-5H3,(H,22,26)