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

Systemtic Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propanoate CAS Name: 2-[[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenylpropanoate Traditional Name: 2-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylcarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=NCCN34

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=NCCN34

InChI

InChI=1S/C20H20N4O3S/c1-27-18(25)15(11-13-5-3-2-4-6-13)23-19(26)22-14-7-8-17-16(12-14)24-10-9-21-20(24)28-17/h2-8,12,15H,9-11H2,1H3,(H2,22,23,26)