[1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate Openeye Name: 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H23N3O3S/c1-3-17(27-21(26)13-5-7-14(23)8-6-13)19(25)24-20-16(11-22)15-9-4-12(2)10-18(15)28-20/h5-8,12,17H,3-4,9-10,23H2,1-2H3,(H,24,25)