2-[(5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(5-ethoxycarbonyl-4-methyl-2-thienyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[[(5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(5-carbethoxy-4-methyl-2-thienyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)O)C

InChI

InChI=1S/C18H20N2O4S3/c1-3-24-17(23)14-9(2)8-12(27-14)19-18(25)20-15-13(16(21)22)10-6-4-5-7-11(10)26-15/h8H,3-7H2,1-2H3,(H,21,22)(H2,19,20,25)