[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O4S2/c1-3-11(2)20-19(25)22-16(23)10-26-18(24)15-9-8-14(27-15)17-21-12-6-4-5-7-13(12)28-17/h4-9,11H,3,10H2,1-2H3,(H2,20,22,23,25)/t11-/m0/s1