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

Systemtic Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-pentanoate Openeye Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-pentanoate CAS Name: 2-[[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methylpentanoate Traditional Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-methyl-valeric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-4-10(2)14(15(22)24-3)20-16(23)19-11-5-6-13-12(9-11)21-8-7-18-17(21)25-13/h5-6,9-10,14H,4,7-8H2,1-3H3,(H2,19,20,23)