ethyl (E)-4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

InChI

InChI=1S/C20H21N3O4S2/c1-3-27-16(25)10-9-15(24)22-20(28)23-19-17(18(21)26)12(2)14(29-19)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H2,21,26)(H2,22,23,24,28)/b10-9+