methyl 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-4-ethoxy-4-keto-but-2-enoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-3-24-13(21)9-8-12(20)18-17(25)19-15-14(16(22)23-2)10-6-4-5-7-11(10)26-15/h8-9H,3-7H2,1-2H3,(H2,18,19,20,25)/b9-8+