ethyl (E)-4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C16H19N3O4S2/c1-2-23-12(21)8-7-11(20)18-16(24)19-15-13(14(17)22)9-5-3-4-6-10(9)25-15/h7-8H,2-6H2,1H3,(H2,17,22)(H2,18,19,20,24)/b8-7+