methyl 5-aminocarbonyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)-2-furyl]prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)-2-furanyl]-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[(E)-2-cyano-3-[5-(dimethylamino)-2-furyl]acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(O2)N(C)C)C#N)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(O2)N(C)C)/C#N)C(=O)N

InChI

InChI=1S/C18H18N4O5S/c1-9-13(18(25)26-4)17(28-14(9)15(20)23)21-16(24)10(8-19)7-11-5-6-12(27-11)22(2)3/h5-7H,1-4H3,(H2,20,23)(H,21,24)/b10-7+