methyl 2-[[(2,3-dimethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2,3-dimethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(2,3-dimethoxyphenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2,3-dimethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2,3-dimethoxybenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-26-14-9-6-7-12(17(14)27-2)11-21-23-20(25)22-18-16(19(24)28-3)13-8-4-5-10-15(13)29-18/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,22,23,25)