ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H15N3O3S2 MolecularWeight: 349.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C#N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C#N

InChI

InChI=1S/C15H15N3O3S2/c1-2-21-13(20)7-6-12(19)17-15(22)18-14-10(8-16)9-4-3-5-11(9)23-14/h6-7H,2-5H2,1H3,(H2,17,18,19,22)/b7-6+