ethyl 5-azanyl-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 5-amino-1-[[anilino(oxo)methyl]amino]-4-(1,3-benzothiazol-2-yl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-2-methyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=NC3=CC=CC=C3S2)N)NC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=NC3=CC=CC=C3S2)N)NC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O3S/c1-3-30-21(28)17-13(2)27(26-22(29)24-14-9-5-4-6-10-14)19(23)18(17)20-25-15-11-7-8-12-16(15)31-20/h4-12H,3,23H2,1-2H3,(H2,24,26,29)