ethyl 6-methyl-2-[[(E)-thiophen-2-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[[(E)-thiophen-2-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[(E)-2-thienylmethyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[(E)-thiophen-2-ylmethylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[(E)-2-thenylideneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)NN=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)N/N=C/C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S2/c1-3-24-17(22)15-13-7-6-11(2)9-14(13)26-16(15)20-18(23)21-19-10-12-5-4-8-25-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H2,20,21,23)/b19-10+