methyl (6S)-6-methyl-2-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-6-methyl-2-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-methyl-2-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-methyl-2-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=C(OC=C3)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=C(OC=C3)C

InChI

InChI=1S/C18H21N3O4S2/c1-9-4-5-12-13(8-9)27-16(14(12)17(23)24-3)19-18(26)21-20-15(22)11-6-7-25-10(11)2/h6-7,9H,4-5,8H2,1-3H3,(H,20,22)(H2,19,21,26)/t9-/m0/s1