methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-butanoate Openeye Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-butanoate CAS Name: 2-[[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methylbutanoate Traditional Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-butyric acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NC1=CC2=C(C=C1)SC3=NCCN23

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)NC1=CC2=C(C=C1)SC3=NCCN23

InChI

InChI=1S/C16H20N4O3S/c1-9(2)13(14(21)23-3)19-15(22)18-10-4-5-12-11(8-10)20-7-6-17-16(20)24-12/h4-5,8-9,13H,6-7H2,1-3H3,(H2,18,19,22)