methyl 3-[ethyl-[4-[(5-methyl-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]propanoate

Systemtic Name: methyl 3-[ethyl-[4-[(5-methyl-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]propanoate Openeye Name: methyl 3-[N-ethyl-4-[(5-methyl-2,1-benzothiazol-3-yl)azo]anilino]propanoate CAS Name: 3-[N-ethyl-4-[(5-methyl-2,1-benzothiazol-3-yl)azo]anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[N-ethyl-4-[(5-methyl-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoate Traditional Name: 3-[N-ethyl-4-[(5-methyl-2,1-benzothiazol-3-yl)azo]anilino]propionic acid methyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)C

Isomeric SMILES

CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)C

InChI

InChI=1S/C20H22N4O2S/c1-4-24(12-11-19(25)26-3)16-8-6-15(7-9-16)21-22-20-17-13-14(2)5-10-18(17)23-27-20/h5-10,13H,4,11-12H2,1-3H3