[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O4S2/c1-3-22-20(27)24-18(25)13(2)28-19(26)15-10-8-14(9-11-15)12-29-21-23-16-6-4-5-7-17(16)30-21/h4-11,13H,3,12H2,1-2H3,(H2,22,24,25,27)