ethyl (6S)-2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=C(C#N)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)N/C(=C(\C#N)/C(=O)N)/C

InChI

InChI=1S/C17H21N3O3S/c1-4-23-17(22)14-11-6-5-9(2)7-13(11)24-16(14)20-10(3)12(8-18)15(19)21/h9,20H,4-7H2,1-3H3,(H2,19,21)/b12-10+/t9-/m0/s1