ethyl 2-[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]prop-2-enoyl]carbamothioylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]prop-2-enoyl]carbamothioylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]prop-2-enoyl]carbamothioylamino]benzothiophene-3-carboxylate CAS Name: 2-[[[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]prop-2-enoyl]carbamothioylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[(2S)-2,3-dihydrothiophen-2-yl]acryloyl]thiocarbamoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=S)NC(=O)C=CC3CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=S)NC(=O)/C=C/[C@@H]3CC=CS3

InChI

InChI=1S/C19H18N2O3S3/c1-2-24-18(23)16-13-7-3-4-8-14(13)27-17(16)21-19(25)20-15(22)10-9-12-6-5-11-26-12/h3-5,7-12H,2,6H2,1H3,(H2,20,21,22,25)/b10-9+/t12-/m0/s1