(6S)-6-methyl-2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: (6S)-6-methyl-2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: (6S)-6-methyl-2-[(5-nitro-2-oxo-indol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: (6S)-6-methyl-2-[(5-nitro-2-oxo-3-indolyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: (6S)-6-methyl-2-[(5-nitro-2-oxoindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: (6S)-2-[(2-keto-5-nitro-indol-3-yl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S/c1-9-2-4-11-13(8-19)18(26-15(11)6-9)21-16-12-7-10(22(24)25)3-5-14(12)20-17(16)23/h3,5,7,9H,2,4,6H2,1H3,(H,20,21,23)/t9-/m0/s1