methyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(5-methylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O3S2/c1-11-8-15(21-24-11)19-18(25)20-16-14(17(22)23-2)10-13(26-16)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H2,19,20,21,25)