propan-2-yl (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: propan-2-yl (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: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=C(C#N)C(=O)N)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)N/C(=C(\C#N)/C(=O)N)/C

InChI

InChI=1S/C18H23N3O3S/c1-9(2)24-18(23)15-12-6-5-10(3)7-14(12)25-17(15)21-11(4)13(8-19)16(20)22/h9-10,21H,5-7H2,1-4H3,(H2,20,22)/b13-11+/t10-/m0/s1