methyl 3-chloranyl-6-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(E)-3-(1-ethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(E)-3-(1-ethylpyrazol-4-yl)acryloyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=CC(=O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCN1C=C(C=N1)/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H17ClN4O3S2/c1-3-24-10-11(9-21-24)4-7-15(25)23-19(28)22-12-5-6-13-14(8-12)29-17(16(13)20)18(26)27-2/h4-10H,3H2,1-2H3,(H2,22,23,25,28)/b7-4+