methyl 2-[[(2S)-4-aminocarbonyl-3-azanyl-5-cyclohexylimino-2H-thiophen-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-4-aminocarbonyl-3-azanyl-5-cyclohexylimino-2H-thiophen-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(2S)-3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2S)-3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophene-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C(=C(C(=NC4CCCCC4)S3)C(=O)N)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3C(=C(C(=NC4CCCCC4)S3)C(=O)N)N

InChI

InChI=1S/C22H28N4O4S2/c1-30-22(29)14-12-9-5-6-10-13(12)31-20(14)26-19(28)17-16(23)15(18(24)27)21(32-17)25-11-7-3-2-4-8-11/h11,17H,2-10,23H2,1H3,(H2,24,27)(H,26,28)/t17-/m0/s1